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3-(2-Chlorophenyl)-1-[2-(propylthio)phenyl]prop-2-yn-1- one
SpectraBase Compound ID KXq09xCVG0R
InChI InChI=1S/C18H15ClOS/c1-2-13-21-18-10-6-4-8-15(18)17(20)12-11-14-7-3-5-9-16(14)19/h3-10H,2,13H2,1H3
InChIKey JIGSOZMLHGGLLS-UHFFFAOYSA-N
Mol Weight 314.83 g/mol
Molecular Formula C18H15ClOS
Exact Mass 314.053214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFtsnZ0uYTf
Name 3-(2-Chlorophenyl)-1-[2-(propylthio)phenyl]prop-2-yn-1- one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClOS
InChI InChI=1S/C18H15ClOS/c1-2-13-21-18-10-6-4-8-15(18)17(20)12-11-14-7-3-5-9-16(14)19/h3-10H,2,13H2,1H3
InChIKey JIGSOZMLHGGLLS-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 314.830 g/mol
Quality 29
Reported Formula C18H15ClOS
SMILES C=1C=CC(=C(C(C#CC2=C(C=CC=C2)Cl)=O)C1)SCCC
SPLASH splash10-000i-0090000000-5753fdb94110a7f86f9d
Source of Spectrum CCC-15-SM6-1e (DOI: 10.1002/cctc.202201557)
Wiley ID 1910133